SCHEMBL3704672

SCHEMBL3704672

O=C(c1ccccc1)c1c(Cl)ccc2c1Cc1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.46
HSP90AA1 P07900 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HTR7 P34969 2/20 0.40
HTR2B P41595 2/20 0.40
DRD2 P14416 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
SRD5A1 P18405 1/20 0.40
GSR P00390 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
CNR2 P34972 1/20 0.38
PNMT P11086 1/20 0.37
LMNA P02545 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30961640 0.88 HSP90AA1 (0.49) SRD5A2HSP90AA1NPC1RAB9AHTR7
SCHEMBL3706194 0.88 HSP90AA1 (0.49) SRD5A2HSP90AA1NPC1RAB9AHTR7
SCHEMBL3704663 0.83 RAB9A (0.50) SRD5A2HSP90AA1NPC1RAB9AHTR7
SCHEMBL28615584 0.83 SRD5A2 (0.47) SRD5A2HSP90AA1NPC1RAB9AHTR7
SCHEMBL29203884 0.79 LMNA (0.47) SRD5A2HSP90AA1NPC1RAB9AHTR7
Acetic Acid SCHEMBL28241870 0.77 NPC1 (0.50) SRD5A2HSP90AA1NPC1RAB9AHTR7
Benzophenone SCHEMBL22720622 0.76 SRD5A2 (0.61) SRD5A2NPC1RAB9AHTR7HTR2B
SCHEMBL11572533 0.75 AKR1B1 (0.53) SRD5A2HSP90AA1NPC1RAB9AHTR7
SCHEMBL28544422 0.74 NPC1 (0.45) SRD5A2HSP90AA1NPC1RAB9AHTR7
SCHEMBL672642 0.74 PNMT (0.47) SRD5A2HSP90AA1NPC1RAB9AHTR7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460789-B1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-04-19 EP disclosed
US-9079830-B2 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-14 US disclosed
EP-2460789-A1 METHOD FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-06-06 EP disclosed
US-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND AKR7A2, AOC2, CBR1 SRD5A2 65/4885HSP90AA1 2049/4885NPC1 1442/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.